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5-Methoxyindole - 99%, high purity , CAS No.1006-94-6

COA

Grade & Purity:

≥99%

Cas Number: 1006-94-6
Molecular Weight: 147.17
Beilstein Registry Number: 116722
EC Number: 213-745-3
MDL number: MFCD00005674
PubChem CID: 13872
PubChem SID: 504752502

In stock

Item Number

M111475

Grouped product items
SKU	Size	Availability	Price
M111475-1g	1g	3	$12.90
M111475-5g	5g	3	$23.90
M111475-25g	25g	3	$59.90
M111475-100g	100g	1	$359.90
M111475-500g	500g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,204.90

View related series

azole (525) Five-Membered Heterocyclic Compounds (2064)

Basic Description

Synonyms	M0731 \| 5-Methoxy-1H-indole \| BDBM50400288 \| CHEBI:167807 \| AM671 \| InChI=1/C9H9NO/c1-11-8-2-3-9-7(6-8)4-5-10-9/h2-6,10H,1H \| BCP26682 \| 5Methoxyindole \| 5-METHOXYINDOLE \| 5-methoxy-indole \| 5-methoxyindol \| 5-Methoxyindole, 99% \| Z104507276 \| NSC 521752
Specifications & Purity	≥99%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Indoles and derivatives
    - Subclass Indoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Indoles and derivatives
Subclass	Indoles
Intermediate Tree Nodes	Not available
Direct Parent	Indoles
Alternative Parents	Anisoles Alkyl aryl ethers Pyrroles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Indole - Anisole - Alkyl aryl ether - Benzenoid - Heteroaromatic compound - Pyrrole - Azacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CDK5 Tchem Cyclin-dependent kinase 5/CDK5 activator 1 (3697 Activities)

Discover Target: CDK5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

panC Pantothenate synthetase (234 Activities)

Discover Target: panC

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504752502
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504752502
IUPAC Name	5-methoxy-1H-indole
INCHI	InChI=1S/C9H9NO/c1-11-8-2-3-9-7(6-8)4-5-10-9/h2-6,10H,1H3
InChIKey	DWAQDRSOVMLGRQ-UHFFFAOYSA-N
Smiles	COC1=CC2=C(C=C1)NC=C2
Isomeric SMILES	COC1=CC2=C(C=C1)NC=C2
WGK Germany	3
RTECS	NL9500000
Molecular Weight	147.17
Beilstein	116722
Reaxy-Rn	116722
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=116722&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

11 results found

Lot Number	Certificate Type	Date	Item
I2116348	Certificate of Analysis	Jun 09, 2025	M111475
I2116354	Certificate of Analysis	Jun 09, 2025	M111475
I2116355	Certificate of Analysis	Jun 09, 2025	M111475
L2311154	Certificate of Analysis	Nov 22, 2023	M111475
L2311153	Certificate of Analysis	Nov 22, 2023	M111475
H1526028	Certificate of Analysis	Apr 14, 2023	M111475
G2216410	Certificate of Analysis	Jun 08, 2022	M111475
G2216408	Certificate of Analysis	Jun 08, 2022	M111475
G2216380	Certificate of Analysis	Jun 08, 2022	M111475
G2216409	Certificate of Analysis	Jun 08, 2022	M111475
C1816119	Certificate of Analysis	Jan 21, 2022	M111475

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Chemical and Physical Properties

Solubility	Soluble in Methanol
Sensitivity	light sensitive; heat sensitive
Boil Point(°C)	176-178°C/17mmHg
Melt Point(°C)	52-55°C
Molecular Weight	147.170 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	147.068 Da
Monoisotopic Mass	147.068 Da
Topological Polar Surface Area	25.000 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	138.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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